USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 CYS SG : rot 166:sc= -0.927 USER MOD Set 1.2: A 50 HIS : no HE2:sc= -0.875 K(o=-3.5,f=-8.3!) USER MOD Set 1.3: A 67 CYS SG : rot 57:sc= 0.747 USER MOD Set 1.4: A 70 CYS SG : rot -37:sc= -2.41 USER MOD Set 1.5: A 72 GLN : amide:sc= 0 X(o=-3.5,f=-3.5) USER MOD Set 2.1: A 18 CYS SG : rot 102:sc= -2.14 USER MOD Set 2.2: A 21 CYS SG : rot -53:sc= -1.09 USER MOD Set 2.3: A 29 CYS SG : rot -127:sc= 0.328 USER MOD Set 2.4: A 32 CYS SG : rot 84:sc= -0.741 USER MOD Set 2.5: A 41 CYS SG : rot 61:sc= 0.0956 USER MOD Set 2.6: A 53 HIS : +bothHN:sc= -1.12! C(o=-5.6!,f=-13!) USER MOD Set 2.7: A 55 CYS SG : rot 90:sc= 0.482 USER MOD Set 2.8: A 56 CYS SG : rot -166:sc= -1.39 USER MOD Set 3.1: A 17 THR OG1 : rot 29:sc= 0.00325 USER MOD Set 3.2: A 24 GLN :FLIP amide:sc= -0.0474 F(o=-0.76,f=-0.044) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.651 K(o=0.65,f=-0.45) USER MOD Single : A 36 ASN : amide:sc= -0.091 K(o=-0.091,f=-1.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -16.9! C(o=-19!,f=-17!) USER MOD Single : A 49 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.43) USER MOD Single : A 51 SER OG : rot -170:sc= -0.555 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.813 F(o=-3,f=-0.81) USER MOD Single : A 57 MET CE :methyl -147:sc= -0.0951 (180deg=-1.28) USER MOD Single : A 58 SER OG : rot 87:sc= 1.31 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0.353 (180deg=0.308) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.5!) USER MOD Single : A 65 ASN :FLIP amide:sc= 0.458 F(o=-0.12,f=0.46) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.12 F(o=-4.2!,f=-1.1) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.408) USER MOD ----------------------------------------------------------------- ATOM 208 N THR A 17 8.630 -6.479 -0.088 1.00 0.00 N ATOM 209 CA THR A 17 7.426 -5.901 0.494 1.00 0.00 C ATOM 210 C THR A 17 7.629 -4.428 0.830 1.00 0.00 C ATOM 211 O THR A 17 8.513 -4.075 1.611 1.00 0.00 O ATOM 212 CB THR A 17 7.003 -6.653 1.771 1.00 0.00 C ATOM 213 OG1 THR A 17 6.557 -7.972 1.437 1.00 0.00 O ATOM 214 CG2 THR A 17 5.895 -5.906 2.497 1.00 0.00 C ATOM 0 HA THR A 17 6.638 -5.995 -0.253 1.00 0.00 H new ATOM 0 HB THR A 17 7.868 -6.718 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.013 -8.276 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.613 -6.456 3.395 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.248 -4.913 2.775 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.029 -5.813 1.842 1.00 0.00 H new ATOM 222 N CYS A 18 6.805 -3.572 0.236 1.00 0.00 N ATOM 223 CA CYS A 18 6.894 -2.136 0.472 1.00 0.00 C ATOM 224 C CYS A 18 7.082 -1.839 1.957 1.00 0.00 C ATOM 225 O CYS A 18 6.149 -1.964 2.749 1.00 0.00 O ATOM 226 CB CYS A 18 5.635 -1.434 -0.044 1.00 0.00 C ATOM 227 SG CYS A 18 5.667 0.378 0.136 1.00 0.00 S ATOM 0 H CYS A 18 6.068 -3.848 -0.413 1.00 0.00 H new ATOM 0 HA CYS A 18 7.761 -1.757 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.500 -1.681 -1.097 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.769 -1.826 0.489 1.00 0.00 H new ATOM 0 HG CYS A 18 5.944 0.923 -1.011 1.00 0.00 H new ATOM 232 N ALA A 19 8.297 -1.445 2.326 1.00 0.00 N ATOM 233 CA ALA A 19 8.608 -1.128 3.714 1.00 0.00 C ATOM 234 C ALA A 19 7.884 0.136 4.164 1.00 0.00 C ATOM 235 O ALA A 19 7.585 0.304 5.347 1.00 0.00 O ATOM 236 CB ALA A 19 10.110 -0.971 3.895 1.00 0.00 C ATOM 0 H ALA A 19 9.081 -1.338 1.683 1.00 0.00 H new ATOM 0 HA ALA A 19 8.262 -1.954 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.328 -0.734 4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.609 -1.901 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.471 -0.165 3.256 1.00 0.00 H new ATOM 242 N ILE A 20 7.606 1.023 3.214 1.00 0.00 N ATOM 243 CA ILE A 20 6.916 2.272 3.514 1.00 0.00 C ATOM 244 C ILE A 20 5.627 2.016 4.287 1.00 0.00 C ATOM 245 O ILE A 20 5.400 2.599 5.348 1.00 0.00 O ATOM 246 CB ILE A 20 6.585 3.054 2.230 1.00 0.00 C ATOM 247 CG1 ILE A 20 7.853 3.284 1.405 1.00 0.00 C ATOM 248 CG2 ILE A 20 5.923 4.380 2.573 1.00 0.00 C ATOM 249 CD1 ILE A 20 7.599 3.370 -0.083 1.00 0.00 C ATOM 0 H ILE A 20 7.848 0.900 2.231 1.00 0.00 H new ATOM 0 HA ILE A 20 7.592 2.867 4.128 1.00 0.00 H new ATOM 0 HB ILE A 20 5.888 2.465 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.331 4.206 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.555 2.473 1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.695 4.921 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.001 4.195 3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.598 4.976 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.542 3.534 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.150 2.440 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.922 4.199 -0.289 1.00 0.00 H new ATOM 261 N CYS A 21 4.785 1.140 3.750 1.00 0.00 N ATOM 262 CA CYS A 21 3.518 0.805 4.388 1.00 0.00 C ATOM 263 C CYS A 21 3.515 -0.646 4.861 1.00 0.00 C ATOM 264 O CYS A 21 2.585 -1.088 5.536 1.00 0.00 O ATOM 265 CB CYS A 21 2.357 1.040 3.421 1.00 0.00 C ATOM 266 SG CYS A 21 2.421 0.011 1.919 1.00 0.00 S ATOM 0 H CYS A 21 4.958 0.649 2.873 1.00 0.00 H new ATOM 0 HA CYS A 21 3.395 1.453 5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.419 0.846 3.942 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.348 2.090 3.129 1.00 0.00 H new ATOM 0 HG CYS A 21 3.577 0.156 1.342 1.00 0.00 H new ATOM 271 N ARG A 22 4.562 -1.382 4.503 1.00 0.00 N ATOM 272 CA ARG A 22 4.679 -2.783 4.889 1.00 0.00 C ATOM 273 C ARG A 22 3.570 -3.617 4.255 1.00 0.00 C ATOM 274 O ARG A 22 3.013 -4.513 4.889 1.00 0.00 O ATOM 275 CB ARG A 22 4.628 -2.920 6.412 1.00 0.00 C ATOM 276 CG ARG A 22 5.681 -2.096 7.134 1.00 0.00 C ATOM 277 CD ARG A 22 7.043 -2.770 7.090 1.00 0.00 C ATOM 278 NE ARG A 22 7.145 -3.862 8.054 1.00 0.00 N ATOM 279 CZ ARG A 22 8.297 -4.303 8.546 1.00 0.00 C ATOM 280 NH1 ARG A 22 9.440 -3.748 8.167 1.00 0.00 N ATOM 281 NH2 ARG A 22 8.308 -5.301 9.421 1.00 0.00 N ATOM 0 H ARG A 22 5.341 -1.031 3.946 1.00 0.00 H new ATOM 0 HA ARG A 22 5.639 -3.154 4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.641 -2.619 6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.755 -3.969 6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.748 -1.108 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.380 -1.948 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.225 -3.154 6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.819 -2.032 7.294 1.00 0.00 H new ATOM 0 HE ARG A 22 6.284 -4.311 8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.436 -2.980 7.496 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.323 -4.089 8.547 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.431 -5.730 9.716 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.193 -5.639 9.798 1.00 0.00 H new ATOM 295 N VAL A 23 3.255 -3.315 2.999 1.00 0.00 N ATOM 296 CA VAL A 23 2.213 -4.037 2.278 1.00 0.00 C ATOM 297 C VAL A 23 2.770 -4.696 1.022 1.00 0.00 C ATOM 298 O VAL A 23 3.795 -4.272 0.490 1.00 0.00 O ATOM 299 CB VAL A 23 1.053 -3.103 1.884 1.00 0.00 C ATOM 300 CG1 VAL A 23 -0.005 -3.866 1.102 1.00 0.00 C ATOM 301 CG2 VAL A 23 0.450 -2.453 3.119 1.00 0.00 C ATOM 0 H VAL A 23 3.706 -2.576 2.460 1.00 0.00 H new ATOM 0 HA VAL A 23 1.837 -4.807 2.952 1.00 0.00 H new ATOM 0 HB VAL A 23 1.446 -2.315 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.816 -3.190 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.439 -4.279 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.397 -4.677 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.368 -1.797 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.071 -3.225 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.214 -1.870 3.633 1.00 0.00 H new ATOM 311 N GLN A 24 2.086 -5.735 0.553 1.00 0.00 N ATOM 312 CA GLN A 24 2.514 -6.454 -0.642 1.00 0.00 C ATOM 313 C GLN A 24 2.688 -5.499 -1.818 1.00 0.00 C ATOM 314 O GLN A 24 1.712 -5.065 -2.430 1.00 0.00 O ATOM 315 CB GLN A 24 1.499 -7.541 -0.999 1.00 0.00 C ATOM 316 CG GLN A 24 1.667 -8.819 -0.193 1.00 0.00 C ATOM 317 CD GLN A 24 2.803 -9.685 -0.701 1.00 0.00 C ATOM 318 OE1 GLN A 24 4.025 -9.351 -0.304 1.00 0.00 O flip ATOM 319 NE2 GLN A 24 2.584 -10.644 -1.441 1.00 0.00 N flip ATOM 0 H GLN A 24 1.234 -6.097 0.981 1.00 0.00 H new ATOM 0 HA GLN A 24 3.476 -6.920 -0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.493 -7.152 -0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.589 -7.776 -2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.849 -8.564 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.738 -9.389 -0.225 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.628 -10.864 -1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.358 -11.218 -1.774 1.00 0.00 H new ATOM 328 N VAL A 25 3.939 -5.174 -2.130 1.00 0.00 N ATOM 329 CA VAL A 25 4.242 -4.270 -3.233 1.00 0.00 C ATOM 330 C VAL A 25 3.421 -4.618 -4.470 1.00 0.00 C ATOM 331 O VAL A 25 3.028 -3.737 -5.234 1.00 0.00 O ATOM 332 CB VAL A 25 5.739 -4.310 -3.597 1.00 0.00 C ATOM 333 CG1 VAL A 25 6.172 -5.732 -3.919 1.00 0.00 C ATOM 334 CG2 VAL A 25 6.028 -3.378 -4.763 1.00 0.00 C ATOM 0 H VAL A 25 4.759 -5.524 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 25 3.983 -3.265 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 25 6.314 -3.967 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.232 -5.741 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.002 -6.369 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.593 -6.106 -4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.090 -3.419 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.444 -3.688 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.757 -2.358 -4.489 1.00 0.00 H new ATOM 344 N MET A 26 3.164 -5.908 -4.659 1.00 0.00 N ATOM 345 CA MET A 26 2.387 -6.372 -5.803 1.00 0.00 C ATOM 346 C MET A 26 0.933 -5.924 -5.690 1.00 0.00 C ATOM 347 O MET A 26 0.300 -5.584 -6.690 1.00 0.00 O ATOM 348 CB MET A 26 2.456 -7.897 -5.908 1.00 0.00 C ATOM 349 CG MET A 26 3.872 -8.433 -6.038 1.00 0.00 C ATOM 350 SD MET A 26 3.950 -9.963 -6.989 1.00 0.00 S ATOM 351 CE MET A 26 4.620 -9.365 -8.539 1.00 0.00 C ATOM 0 H MET A 26 3.482 -6.650 -4.036 1.00 0.00 H new ATOM 0 HA MET A 26 2.815 -5.933 -6.704 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.990 -8.335 -5.026 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.873 -8.220 -6.770 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.499 -7.680 -6.516 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.284 -8.606 -5.044 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.727 -10.198 -9.234 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.946 -8.622 -8.964 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.595 -8.911 -8.363 1.00 0.00 H new ATOM 361 N ASP A 27 0.411 -5.925 -4.469 1.00 0.00 N ATOM 362 CA ASP A 27 -0.968 -5.518 -4.226 1.00 0.00 C ATOM 363 C ASP A 27 -1.035 -4.054 -3.801 1.00 0.00 C ATOM 364 O ASP A 27 -0.009 -3.421 -3.556 1.00 0.00 O ATOM 365 CB ASP A 27 -1.602 -6.403 -3.152 1.00 0.00 C ATOM 366 CG ASP A 27 -3.100 -6.550 -3.333 1.00 0.00 C ATOM 367 OD1 ASP A 27 -3.518 -7.204 -4.312 1.00 0.00 O ATOM 368 OD2 ASP A 27 -3.854 -6.011 -2.496 1.00 0.00 O ATOM 0 H ASP A 27 0.922 -6.203 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.525 -5.634 -5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.138 -7.389 -3.177 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.398 -5.979 -2.169 1.00 0.00 H new ATOM 373 N ALA A 28 -2.250 -3.523 -3.717 1.00 0.00 N ATOM 374 CA ALA A 28 -2.452 -2.135 -3.321 1.00 0.00 C ATOM 375 C ALA A 28 -2.166 -1.940 -1.836 1.00 0.00 C ATOM 376 O ALA A 28 -2.228 -2.888 -1.052 1.00 0.00 O ATOM 377 CB ALA A 28 -3.870 -1.692 -3.651 1.00 0.00 C ATOM 0 H ALA A 28 -3.110 -4.033 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.751 -1.518 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.006 -0.653 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.039 -1.784 -4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.581 -2.321 -3.116 1.00 0.00 H new ATOM 383 N CYS A 29 -1.853 -0.706 -1.455 1.00 0.00 N ATOM 384 CA CYS A 29 -1.557 -0.387 -0.064 1.00 0.00 C ATOM 385 C CYS A 29 -2.842 -0.178 0.732 1.00 0.00 C ATOM 386 O CYS A 29 -3.913 0.027 0.160 1.00 0.00 O ATOM 387 CB CYS A 29 -0.683 0.866 0.018 1.00 0.00 C ATOM 388 SG CYS A 29 -1.454 2.358 -0.688 1.00 0.00 S ATOM 0 H CYS A 29 -1.798 0.090 -2.091 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.016 -1.228 0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.437 1.057 1.063 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.256 0.675 -0.501 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.653 2.887 -1.565 1.00 0.00 H new ATOM 393 N LEU A 30 -2.727 -0.231 2.054 1.00 0.00 N ATOM 394 CA LEU A 30 -3.879 -0.047 2.930 1.00 0.00 C ATOM 395 C LEU A 30 -4.568 1.284 2.651 1.00 0.00 C ATOM 396 O LEU A 30 -5.700 1.510 3.079 1.00 0.00 O ATOM 397 CB LEU A 30 -3.446 -0.113 4.396 1.00 0.00 C ATOM 398 CG LEU A 30 -3.386 -1.510 5.016 1.00 0.00 C ATOM 399 CD1 LEU A 30 -2.823 -1.443 6.427 1.00 0.00 C ATOM 400 CD2 LEU A 30 -4.766 -2.151 5.020 1.00 0.00 C ATOM 0 H LEU A 30 -1.848 -0.400 2.543 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.588 -0.851 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.460 0.344 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.133 0.495 4.985 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.722 -2.128 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.788 -2.446 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.817 -1.025 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.461 -0.810 7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.705 -3.144 5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.452 -1.535 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.132 -2.234 3.997 1.00 0.00 H new ATOM 412 N ARG A 31 -3.879 2.162 1.929 1.00 0.00 N ATOM 413 CA ARG A 31 -4.425 3.471 1.592 1.00 0.00 C ATOM 414 C ARG A 31 -5.229 3.407 0.296 1.00 0.00 C ATOM 415 O ARG A 31 -6.224 4.114 0.135 1.00 0.00 O ATOM 416 CB ARG A 31 -3.299 4.497 1.456 1.00 0.00 C ATOM 417 CG ARG A 31 -2.413 4.596 2.688 1.00 0.00 C ATOM 418 CD ARG A 31 -3.219 4.952 3.927 1.00 0.00 C ATOM 419 NE ARG A 31 -2.380 5.510 4.984 1.00 0.00 N ATOM 420 CZ ARG A 31 -2.003 6.783 5.028 1.00 0.00 C ATOM 421 NH1 ARG A 31 -2.389 7.625 4.079 1.00 0.00 N ATOM 422 NH2 ARG A 31 -1.239 7.216 6.022 1.00 0.00 N ATOM 0 H ARG A 31 -2.941 1.990 1.566 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.091 3.778 2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.683 4.236 0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.733 5.476 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.901 3.647 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.643 5.350 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.994 5.671 3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.725 4.061 4.298 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.066 4.888 5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.977 7.296 3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.098 8.602 4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.940 6.571 6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.950 8.194 6.055 1.00 0.00 H new ATOM 436 N CYS A 32 -4.789 2.556 -0.625 1.00 0.00 N ATOM 437 CA CYS A 32 -5.466 2.400 -1.907 1.00 0.00 C ATOM 438 C CYS A 32 -6.569 1.349 -1.816 1.00 0.00 C ATOM 439 O CYS A 32 -7.571 1.425 -2.526 1.00 0.00 O ATOM 440 CB CYS A 32 -4.462 2.008 -2.993 1.00 0.00 C ATOM 441 SG CYS A 32 -3.363 3.364 -3.514 1.00 0.00 S ATOM 0 H CYS A 32 -3.967 1.964 -0.507 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.920 3.356 -2.168 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.853 1.181 -2.628 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.008 1.643 -3.863 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.355 3.444 -2.697 1.00 0.00 H new ATOM 446 N GLN A 33 -6.376 0.371 -0.937 1.00 0.00 N ATOM 447 CA GLN A 33 -7.354 -0.694 -0.753 1.00 0.00 C ATOM 448 C GLN A 33 -8.662 -0.142 -0.194 1.00 0.00 C ATOM 449 O GLN A 33 -9.746 -0.571 -0.587 1.00 0.00 O ATOM 450 CB GLN A 33 -6.799 -1.769 0.183 1.00 0.00 C ATOM 451 CG GLN A 33 -5.629 -2.542 -0.404 1.00 0.00 C ATOM 452 CD GLN A 33 -5.385 -3.859 0.305 1.00 0.00 C ATOM 453 OE1 GLN A 33 -6.317 -4.624 0.557 1.00 0.00 O ATOM 454 NE2 GLN A 33 -4.127 -4.132 0.632 1.00 0.00 N ATOM 0 H GLN A 33 -5.552 0.294 -0.341 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.556 -1.139 -1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.483 -1.300 1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.597 -2.468 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.818 -2.732 -1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.729 -1.930 -0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.386 -3.470 0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.902 -5.004 1.111 1.00 0.00 H new ATOM 463 N ALA A 34 -8.551 0.811 0.725 1.00 0.00 N ATOM 464 CA ALA A 34 -9.724 1.422 1.337 1.00 0.00 C ATOM 465 C ALA A 34 -10.430 2.355 0.358 1.00 0.00 C ATOM 466 O ALA A 34 -11.658 2.376 0.284 1.00 0.00 O ATOM 467 CB ALA A 34 -9.329 2.178 2.597 1.00 0.00 C ATOM 0 H ALA A 34 -7.660 1.177 1.062 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.419 0.626 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.215 2.629 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.876 1.488 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.613 2.959 2.343 1.00 0.00 H new ATOM 473 N GLU A 35 -9.646 3.124 -0.390 1.00 0.00 N ATOM 474 CA GLU A 35 -10.198 4.059 -1.363 1.00 0.00 C ATOM 475 C GLU A 35 -10.539 3.348 -2.669 1.00 0.00 C ATOM 476 O GLU A 35 -11.255 3.886 -3.513 1.00 0.00 O ATOM 477 CB GLU A 35 -9.207 5.194 -1.632 1.00 0.00 C ATOM 478 CG GLU A 35 -9.062 6.163 -0.470 1.00 0.00 C ATOM 479 CD GLU A 35 -8.130 7.317 -0.786 1.00 0.00 C ATOM 480 OE1 GLU A 35 -7.026 7.062 -1.309 1.00 0.00 O ATOM 481 OE2 GLU A 35 -8.507 8.475 -0.509 1.00 0.00 O ATOM 0 H GLU A 35 -8.627 3.118 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.115 4.477 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.231 4.766 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.529 5.745 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.044 6.556 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.687 5.626 0.401 1.00 0.00 H new ATOM 488 N ASN A 36 -10.021 2.134 -2.828 1.00 0.00 N ATOM 489 CA ASN A 36 -10.269 1.348 -4.031 1.00 0.00 C ATOM 490 C ASN A 36 -9.514 1.927 -5.224 1.00 0.00 C ATOM 491 O ASN A 36 -10.023 1.947 -6.345 1.00 0.00 O ATOM 492 CB ASN A 36 -11.768 1.303 -4.336 1.00 0.00 C ATOM 493 CG ASN A 36 -12.152 0.096 -5.170 1.00 0.00 C ATOM 494 OD1 ASN A 36 -11.310 -0.741 -5.495 1.00 0.00 O ATOM 495 ND2 ASN A 36 -13.430 0.002 -5.520 1.00 0.00 N ATOM 0 H ASN A 36 -9.427 1.673 -2.139 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.910 0.334 -3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.326 1.287 -3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.056 2.212 -4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.748 -0.788 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.093 0.720 -5.228 1.00 0.00 H new ATOM 502 N LYS A 37 -8.296 2.396 -4.975 1.00 0.00 N ATOM 503 CA LYS A 37 -7.468 2.973 -6.027 1.00 0.00 C ATOM 504 C LYS A 37 -6.387 1.992 -6.469 1.00 0.00 C ATOM 505 O LYS A 37 -5.318 2.398 -6.926 1.00 0.00 O ATOM 506 CB LYS A 37 -6.824 4.274 -5.542 1.00 0.00 C ATOM 507 CG LYS A 37 -7.821 5.396 -5.309 1.00 0.00 C ATOM 508 CD LYS A 37 -7.987 6.261 -6.548 1.00 0.00 C ATOM 509 CE LYS A 37 -9.136 5.774 -7.418 1.00 0.00 C ATOM 510 NZ LYS A 37 -9.344 6.651 -8.603 1.00 0.00 N ATOM 0 H LYS A 37 -7.860 2.388 -4.053 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.109 3.189 -6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.286 4.079 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.087 4.601 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.786 4.974 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.487 6.013 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.167 7.294 -6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.063 6.252 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.934 4.756 -7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.051 5.740 -6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.135 6.286 -9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.562 7.617 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.480 6.663 -9.182 1.00 0.00 H new ATOM 524 N GLN A 38 -6.673 0.702 -6.330 1.00 0.00 N ATOM 525 CA GLN A 38 -5.724 -0.336 -6.716 1.00 0.00 C ATOM 526 C GLN A 38 -5.103 -0.028 -8.075 1.00 0.00 C ATOM 527 O GLN A 38 -3.881 0.019 -8.212 1.00 0.00 O ATOM 528 CB GLN A 38 -6.415 -1.700 -6.756 1.00 0.00 C ATOM 529 CG GLN A 38 -7.340 -1.947 -5.575 1.00 0.00 C ATOM 530 CD GLN A 38 -6.634 -1.806 -4.241 1.00 0.00 C ATOM 531 OE1 GLN A 38 -6.290 -0.575 -3.880 1.00 0.00 O flip ATOM 532 NE2 GLN A 38 -6.399 -2.792 -3.542 1.00 0.00 N flip ATOM 0 H GLN A 38 -7.553 0.350 -5.953 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.929 -0.361 -5.970 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.988 -1.781 -7.679 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.656 -2.482 -6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.172 -1.244 -5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.764 -2.948 -5.653 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.681 -3.720 -3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.922 -2.681 -2.647 1.00 0.00 H new ATOM 541 N GLU A 39 -5.953 0.180 -9.075 1.00 0.00 N ATOM 542 CA GLU A 39 -5.486 0.482 -10.423 1.00 0.00 C ATOM 543 C GLU A 39 -4.376 1.529 -10.393 1.00 0.00 C ATOM 544 O GLU A 39 -3.462 1.503 -11.217 1.00 0.00 O ATOM 545 CB GLU A 39 -6.646 0.978 -11.289 1.00 0.00 C ATOM 546 CG GLU A 39 -7.717 -0.072 -11.531 1.00 0.00 C ATOM 547 CD GLU A 39 -8.514 0.188 -12.795 1.00 0.00 C ATOM 548 OE1 GLU A 39 -7.940 0.749 -13.752 1.00 0.00 O ATOM 549 OE2 GLU A 39 -9.710 -0.169 -12.828 1.00 0.00 O ATOM 0 H GLU A 39 -6.968 0.145 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.085 -0.435 -10.855 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.101 1.845 -10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.254 1.313 -12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.249 -1.054 -11.597 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.395 -0.098 -10.678 1.00 0.00 H new ATOM 556 N ASP A 40 -4.463 2.447 -9.437 1.00 0.00 N ATOM 557 CA ASP A 40 -3.467 3.503 -9.298 1.00 0.00 C ATOM 558 C ASP A 40 -2.234 2.992 -8.560 1.00 0.00 C ATOM 559 O ASP A 40 -1.110 3.408 -8.843 1.00 0.00 O ATOM 560 CB ASP A 40 -4.061 4.700 -8.555 1.00 0.00 C ATOM 561 CG ASP A 40 -3.049 5.808 -8.338 1.00 0.00 C ATOM 562 OD1 ASP A 40 -2.179 5.651 -7.457 1.00 0.00 O ATOM 563 OD2 ASP A 40 -3.128 6.832 -9.048 1.00 0.00 O ATOM 0 H ASP A 40 -5.213 2.481 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.166 3.819 -10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.907 5.091 -9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.446 4.370 -7.590 1.00 0.00 H new ATOM 568 N CYS A 41 -2.451 2.088 -7.610 1.00 0.00 N ATOM 569 CA CYS A 41 -1.359 1.521 -6.829 1.00 0.00 C ATOM 570 C CYS A 41 -0.600 0.472 -7.637 1.00 0.00 C ATOM 571 O CYS A 41 -0.882 -0.723 -7.545 1.00 0.00 O ATOM 572 CB CYS A 41 -1.896 0.896 -5.540 1.00 0.00 C ATOM 573 SG CYS A 41 -0.685 0.838 -4.181 1.00 0.00 S ATOM 0 H CYS A 41 -3.375 1.732 -7.363 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.671 2.327 -6.575 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.768 1.461 -5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.235 -0.118 -5.754 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.310 2.046 -3.882 1.00 0.00 H new ATOM 578 N VAL A 42 0.366 0.928 -8.430 1.00 0.00 N ATOM 579 CA VAL A 42 1.167 0.030 -9.253 1.00 0.00 C ATOM 580 C VAL A 42 2.512 -0.263 -8.598 1.00 0.00 C ATOM 581 O VAL A 42 2.831 0.279 -7.540 1.00 0.00 O ATOM 582 CB VAL A 42 1.408 0.620 -10.655 1.00 0.00 C ATOM 583 CG1 VAL A 42 0.088 0.836 -11.379 1.00 0.00 C ATOM 584 CG2 VAL A 42 2.191 1.921 -10.557 1.00 0.00 C ATOM 0 H VAL A 42 0.612 1.914 -8.519 1.00 0.00 H new ATOM 0 HA VAL A 42 0.604 -0.898 -9.349 1.00 0.00 H new ATOM 0 HB VAL A 42 1.998 -0.091 -11.233 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.279 1.253 -12.368 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.431 -0.117 -11.482 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.532 1.527 -10.807 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.353 2.325 -11.557 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.628 2.640 -9.962 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.154 1.731 -10.082 1.00 0.00 H new ATOM 594 N VAL A 43 3.298 -1.125 -9.234 1.00 0.00 N ATOM 595 CA VAL A 43 4.611 -1.490 -8.715 1.00 0.00 C ATOM 596 C VAL A 43 5.719 -0.741 -9.447 1.00 0.00 C ATOM 597 O VAL A 43 5.902 -0.905 -10.653 1.00 0.00 O ATOM 598 CB VAL A 43 4.862 -3.005 -8.838 1.00 0.00 C ATOM 599 CG1 VAL A 43 6.219 -3.370 -8.256 1.00 0.00 C ATOM 600 CG2 VAL A 43 3.751 -3.786 -8.152 1.00 0.00 C ATOM 0 H VAL A 43 3.049 -1.584 -10.110 1.00 0.00 H new ATOM 0 HA VAL A 43 4.623 -1.212 -7.661 1.00 0.00 H new ATOM 0 HB VAL A 43 4.863 -3.271 -9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.379 -4.444 -8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.002 -2.837 -8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.250 -3.091 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.944 -4.854 -8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.716 -3.518 -7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.796 -3.546 -8.619 1.00 0.00 H new ATOM 610 N VAL A 44 6.458 0.081 -8.708 1.00 0.00 N ATOM 611 CA VAL A 44 7.550 0.855 -9.286 1.00 0.00 C ATOM 612 C VAL A 44 8.903 0.279 -8.886 1.00 0.00 C ATOM 613 O VAL A 44 9.297 0.344 -7.722 1.00 0.00 O ATOM 614 CB VAL A 44 7.484 2.331 -8.851 1.00 0.00 C ATOM 615 CG1 VAL A 44 7.421 2.439 -7.335 1.00 0.00 C ATOM 616 CG2 VAL A 44 8.676 3.101 -9.399 1.00 0.00 C ATOM 0 H VAL A 44 6.320 0.228 -7.708 1.00 0.00 H new ATOM 0 HA VAL A 44 7.440 0.798 -10.369 1.00 0.00 H new ATOM 0 HB VAL A 44 6.575 2.772 -9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.375 3.489 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.533 1.923 -6.970 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.310 1.982 -6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.614 4.142 -9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.599 2.661 -9.020 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.671 3.052 -10.488 1.00 0.00 H new ATOM 626 N TRP A 45 9.611 -0.285 -9.859 1.00 0.00 N ATOM 627 CA TRP A 45 10.922 -0.873 -9.608 1.00 0.00 C ATOM 628 C TRP A 45 12.001 0.203 -9.560 1.00 0.00 C ATOM 629 O TRP A 45 11.883 1.243 -10.206 1.00 0.00 O ATOM 630 CB TRP A 45 11.257 -1.901 -10.690 1.00 0.00 C ATOM 631 CG TRP A 45 10.359 -3.101 -10.668 1.00 0.00 C ATOM 632 CD1 TRP A 45 10.618 -4.307 -10.083 1.00 0.00 C ATOM 633 CD2 TRP A 45 9.060 -3.210 -11.260 1.00 0.00 C ATOM 634 NE1 TRP A 45 9.557 -5.160 -10.275 1.00 0.00 N ATOM 635 CE2 TRP A 45 8.589 -4.510 -10.993 1.00 0.00 C ATOM 636 CE3 TRP A 45 8.248 -2.335 -11.987 1.00 0.00 C ATOM 637 CZ2 TRP A 45 7.343 -4.954 -11.430 1.00 0.00 C ATOM 638 CZ3 TRP A 45 7.013 -2.778 -12.420 1.00 0.00 C ATOM 639 CH2 TRP A 45 6.569 -4.077 -12.139 1.00 0.00 C ATOM 0 H TRP A 45 9.299 -0.347 -10.828 1.00 0.00 H new ATOM 0 HA TRP A 45 10.890 -1.372 -8.639 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.190 -1.424 -11.668 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.290 -2.227 -10.564 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.523 -4.555 -9.548 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.500 -6.121 -9.937 1.00 0.00 H new ATOM 0 HE3 TRP A 45 8.580 -1.331 -12.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.000 -5.956 -11.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.379 -2.111 -12.985 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.597 -4.392 -12.489 1.00 0.00 H new ATOM 650 N GLY A 46 13.053 -0.054 -8.789 1.00 0.00 N ATOM 651 CA GLY A 46 14.138 0.902 -8.671 1.00 0.00 C ATOM 652 C GLY A 46 15.459 0.344 -9.161 1.00 0.00 C ATOM 653 O GLY A 46 15.640 -0.871 -9.228 1.00 0.00 O ATOM 0 H GLY A 46 13.173 -0.908 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.892 1.798 -9.241 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.239 1.205 -7.629 1.00 0.00 H new ATOM 657 N GLU A 47 16.384 1.234 -9.507 1.00 0.00 N ATOM 658 CA GLU A 47 17.695 0.822 -9.996 1.00 0.00 C ATOM 659 C GLU A 47 18.377 -0.113 -9.002 1.00 0.00 C ATOM 660 O GLU A 47 19.182 -0.964 -9.384 1.00 0.00 O ATOM 661 CB GLU A 47 18.577 2.046 -10.250 1.00 0.00 C ATOM 662 CG GLU A 47 18.467 2.593 -11.663 1.00 0.00 C ATOM 663 CD GLU A 47 19.691 3.386 -12.079 1.00 0.00 C ATOM 664 OE1 GLU A 47 20.088 4.301 -11.328 1.00 0.00 O ATOM 665 OE2 GLU A 47 20.251 3.090 -13.155 1.00 0.00 O ATOM 0 H GLU A 47 16.250 2.244 -9.458 1.00 0.00 H new ATOM 0 HA GLU A 47 17.552 0.285 -10.934 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.307 2.831 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.616 1.782 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.321 1.766 -12.358 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.585 3.229 -11.735 1.00 0.00 H new ATOM 672 N CYS A 48 18.051 0.051 -7.724 1.00 0.00 N ATOM 673 CA CYS A 48 18.632 -0.776 -6.674 1.00 0.00 C ATOM 674 C CYS A 48 17.971 -2.151 -6.636 1.00 0.00 C ATOM 675 O CYS A 48 18.256 -2.964 -5.757 1.00 0.00 O ATOM 676 CB CYS A 48 18.484 -0.089 -5.314 1.00 0.00 C ATOM 677 SG CYS A 48 16.760 0.267 -4.845 1.00 0.00 S ATOM 0 H CYS A 48 17.387 0.750 -7.391 1.00 0.00 H new ATOM 0 HA CYS A 48 19.691 -0.907 -6.894 1.00 0.00 H new ATOM 0 HB2 CYS A 48 18.934 -0.721 -4.549 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.046 0.845 -5.328 1.00 0.00 H new ATOM 0 HG CYS A 48 16.708 0.575 -3.583 1.00 0.00 H new ATOM 682 N ASN A 49 17.087 -2.403 -7.596 1.00 0.00 N ATOM 683 CA ASN A 49 16.385 -3.679 -7.673 1.00 0.00 C ATOM 684 C ASN A 49 15.383 -3.819 -6.530 1.00 0.00 C ATOM 685 O ASN A 49 15.276 -4.877 -5.910 1.00 0.00 O ATOM 686 CB ASN A 49 17.384 -4.838 -7.634 1.00 0.00 C ATOM 687 CG ASN A 49 16.737 -6.170 -7.959 1.00 0.00 C ATOM 688 OD1 ASN A 49 16.719 -7.082 -7.133 1.00 0.00 O ATOM 689 ND2 ASN A 49 16.201 -6.288 -9.169 1.00 0.00 N ATOM 0 H ASN A 49 16.840 -1.741 -8.331 1.00 0.00 H new ATOM 0 HA ASN A 49 15.840 -3.709 -8.617 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.188 -4.645 -8.344 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.838 -4.890 -6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.752 -7.161 -9.445 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.239 -5.505 -9.822 1.00 0.00 H new ATOM 696 N HIS A 50 14.651 -2.743 -6.258 1.00 0.00 N ATOM 697 CA HIS A 50 13.656 -2.746 -5.191 1.00 0.00 C ATOM 698 C HIS A 50 12.324 -2.192 -5.689 1.00 0.00 C ATOM 699 O HIS A 50 12.255 -1.068 -6.185 1.00 0.00 O ATOM 700 CB HIS A 50 14.152 -1.923 -4.002 1.00 0.00 C ATOM 701 CG HIS A 50 15.216 -2.609 -3.201 1.00 0.00 C ATOM 702 ND1 HIS A 50 16.036 -1.944 -2.314 1.00 0.00 N ATOM 703 CD2 HIS A 50 15.591 -3.908 -3.157 1.00 0.00 C ATOM 704 CE1 HIS A 50 16.870 -2.805 -1.760 1.00 0.00 C ATOM 705 NE2 HIS A 50 16.621 -4.004 -2.253 1.00 0.00 N ATOM 0 H HIS A 50 14.728 -1.859 -6.761 1.00 0.00 H new ATOM 0 HA HIS A 50 13.503 -3.777 -4.872 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.539 -0.971 -4.366 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.308 -1.696 -3.351 1.00 0.00 H new ATOM 0 HD1 HIS A 50 16.003 -0.944 -2.117 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.161 -4.719 -3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.628 -2.568 -1.028 1.00 0.00 H new ATOM 713 N SER A 51 11.269 -2.989 -5.553 1.00 0.00 N ATOM 714 CA SER A 51 9.941 -2.580 -5.992 1.00 0.00 C ATOM 715 C SER A 51 9.180 -1.897 -4.860 1.00 0.00 C ATOM 716 O SER A 51 9.262 -2.310 -3.703 1.00 0.00 O ATOM 717 CB SER A 51 9.151 -3.790 -6.494 1.00 0.00 C ATOM 718 OG SER A 51 8.985 -4.752 -5.468 1.00 0.00 O ATOM 0 H SER A 51 11.309 -3.922 -5.142 1.00 0.00 H new ATOM 0 HA SER A 51 10.060 -1.868 -6.808 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.175 -3.466 -6.855 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.670 -4.242 -7.340 1.00 0.00 H new ATOM 0 HG SER A 51 8.619 -5.577 -5.849 1.00 0.00 H new ATOM 724 N PHE A 52 8.439 -0.848 -5.202 1.00 0.00 N ATOM 725 CA PHE A 52 7.664 -0.105 -4.215 1.00 0.00 C ATOM 726 C PHE A 52 6.330 0.350 -4.801 1.00 0.00 C ATOM 727 O PHE A 52 6.050 0.131 -5.980 1.00 0.00 O ATOM 728 CB PHE A 52 8.456 1.106 -3.719 1.00 0.00 C ATOM 729 CG PHE A 52 9.684 0.740 -2.935 1.00 0.00 C ATOM 730 CD1 PHE A 52 9.603 0.483 -1.576 1.00 0.00 C ATOM 731 CD2 PHE A 52 10.918 0.651 -3.558 1.00 0.00 C ATOM 732 CE1 PHE A 52 10.731 0.146 -0.852 1.00 0.00 C ATOM 733 CE2 PHE A 52 12.050 0.314 -2.839 1.00 0.00 C ATOM 734 CZ PHE A 52 11.956 0.060 -1.485 1.00 0.00 C ATOM 0 H PHE A 52 8.359 -0.493 -6.155 1.00 0.00 H new ATOM 0 HA PHE A 52 7.464 -0.768 -3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.749 1.714 -4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.808 1.723 -3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.647 0.547 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.997 0.847 -4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.655 -0.050 0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.007 0.250 -3.336 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.838 -0.205 -0.922 1.00 0.00 H new ATOM 744 N HIS A 53 5.511 0.985 -3.969 1.00 0.00 N ATOM 745 CA HIS A 53 4.206 1.472 -4.404 1.00 0.00 C ATOM 746 C HIS A 53 4.316 2.882 -4.975 1.00 0.00 C ATOM 747 O HIS A 53 4.593 3.836 -4.249 1.00 0.00 O ATOM 748 CB HIS A 53 3.218 1.456 -3.237 1.00 0.00 C ATOM 749 CG HIS A 53 2.809 0.078 -2.818 1.00 0.00 C ATOM 750 ND1 HIS A 53 2.888 -0.367 -1.515 1.00 0.00 N ATOM 751 CD2 HIS A 53 2.312 -0.956 -3.537 1.00 0.00 C ATOM 752 CE1 HIS A 53 2.460 -1.615 -1.451 1.00 0.00 C ATOM 753 NE2 HIS A 53 2.105 -1.996 -2.664 1.00 0.00 N ATOM 0 H HIS A 53 5.727 1.175 -2.990 1.00 0.00 H new ATOM 0 HA HIS A 53 3.840 0.809 -5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.666 1.968 -2.385 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.329 2.021 -3.517 1.00 0.00 H new ATOM 0 HD1 HIS A 53 3.225 0.182 -0.724 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.115 -0.962 -4.599 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.409 -2.221 -0.558 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.737 -2.914 -2.913 1.00 0.00 H new ATOM 761 N ASN A 54 4.096 3.006 -6.280 1.00 0.00 N ATOM 762 CA ASN A 54 4.172 4.300 -6.948 1.00 0.00 C ATOM 763 C ASN A 54 3.611 5.406 -6.058 1.00 0.00 C ATOM 764 O ASN A 54 4.174 6.498 -5.977 1.00 0.00 O ATOM 765 CB ASN A 54 3.406 4.259 -8.272 1.00 0.00 C ATOM 766 CG ASN A 54 1.953 4.661 -8.112 1.00 0.00 C ATOM 767 OD1 ASN A 54 1.157 3.780 -7.518 1.00 0.00 O flip ATOM 768 ND2 ASN A 54 1.551 5.752 -8.518 1.00 0.00 N flip ATOM 0 H ASN A 54 3.864 2.226 -6.895 1.00 0.00 H new ATOM 0 HA ASN A 54 5.221 4.516 -7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.888 4.925 -8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.458 3.253 -8.688 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.198 6.398 -8.969 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.571 6.009 -8.403 1.00 0.00 H new ATOM 775 N CYS A 55 2.500 5.114 -5.391 1.00 0.00 N ATOM 776 CA CYS A 55 1.862 6.082 -4.506 1.00 0.00 C ATOM 777 C CYS A 55 2.728 6.349 -3.279 1.00 0.00 C ATOM 778 O CYS A 55 2.960 7.501 -2.907 1.00 0.00 O ATOM 779 CB CYS A 55 0.485 5.577 -4.072 1.00 0.00 C ATOM 780 SG CYS A 55 0.527 4.016 -3.133 1.00 0.00 S ATOM 0 H CYS A 55 2.022 4.215 -5.446 1.00 0.00 H new ATOM 0 HA CYS A 55 1.742 7.016 -5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.005 6.342 -3.462 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.135 5.439 -4.958 1.00 0.00 H new ATOM 0 HG CYS A 55 0.637 4.276 -1.864 1.00 0.00 H new ATOM 785 N CYS A 56 3.205 5.279 -2.652 1.00 0.00 N ATOM 786 CA CYS A 56 4.045 5.396 -1.467 1.00 0.00 C ATOM 787 C CYS A 56 5.355 6.105 -1.797 1.00 0.00 C ATOM 788 O CYS A 56 5.627 7.195 -1.293 1.00 0.00 O ATOM 789 CB CYS A 56 4.335 4.012 -0.882 1.00 0.00 C ATOM 790 SG CYS A 56 2.860 3.146 -0.256 1.00 0.00 S ATOM 0 H CYS A 56 3.023 4.319 -2.946 1.00 0.00 H new ATOM 0 HA CYS A 56 3.507 5.990 -0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.806 3.397 -1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.054 4.116 -0.070 1.00 0.00 H new ATOM 0 HG CYS A 56 3.228 2.141 0.482 1.00 0.00 H new ATOM 795 N MET A 57 6.163 5.480 -2.647 1.00 0.00 N ATOM 796 CA MET A 57 7.443 6.052 -3.045 1.00 0.00 C ATOM 797 C MET A 57 7.309 7.546 -3.321 1.00 0.00 C ATOM 798 O MET A 57 8.140 8.344 -2.887 1.00 0.00 O ATOM 799 CB MET A 57 7.980 5.338 -4.288 1.00 0.00 C ATOM 800 CG MET A 57 9.499 5.304 -4.360 1.00 0.00 C ATOM 801 SD MET A 57 10.203 3.883 -3.502 1.00 0.00 S ATOM 802 CE MET A 57 11.402 4.689 -2.442 1.00 0.00 C ATOM 0 H MET A 57 5.954 4.577 -3.073 1.00 0.00 H new ATOM 0 HA MET A 57 8.146 5.914 -2.223 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.601 4.316 -4.303 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.593 5.834 -5.178 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.809 5.283 -5.405 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.900 6.220 -3.927 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.265 4.037 -2.308 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.722 5.625 -2.900 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.949 4.896 -1.472 1.00 0.00 H new ATOM 812 N SER A 58 6.259 7.917 -4.046 1.00 0.00 N ATOM 813 CA SER A 58 6.019 9.316 -4.383 1.00 0.00 C ATOM 814 C SER A 58 5.906 10.167 -3.122 1.00 0.00 C ATOM 815 O SER A 58 6.309 11.331 -3.107 1.00 0.00 O ATOM 816 CB SER A 58 4.744 9.449 -5.218 1.00 0.00 C ATOM 817 OG SER A 58 4.927 8.917 -6.519 1.00 0.00 O ATOM 0 H SER A 58 5.561 7.269 -4.411 1.00 0.00 H new ATOM 0 HA SER A 58 6.867 9.674 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.925 8.929 -4.721 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.460 10.499 -5.288 1.00 0.00 H new ATOM 0 HG SER A 58 4.732 7.957 -6.510 1.00 0.00 H new ATOM 823 N LEU A 59 5.355 9.578 -2.066 1.00 0.00 N ATOM 824 CA LEU A 59 5.189 10.281 -0.799 1.00 0.00 C ATOM 825 C LEU A 59 6.454 10.186 0.047 1.00 0.00 C ATOM 826 O LEU A 59 6.813 11.129 0.753 1.00 0.00 O ATOM 827 CB LEU A 59 4.001 9.705 -0.026 1.00 0.00 C ATOM 828 CG LEU A 59 2.652 9.740 -0.745 1.00 0.00 C ATOM 829 CD1 LEU A 59 1.676 8.770 -0.097 1.00 0.00 C ATOM 830 CD2 LEU A 59 2.083 11.151 -0.745 1.00 0.00 C ATOM 0 H LEU A 59 5.016 8.616 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 59 4.999 11.332 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.227 8.670 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.904 10.251 0.912 1.00 0.00 H new ATOM 0 HG LEU A 59 2.806 9.432 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.722 8.809 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.079 7.759 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.527 9.046 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.123 11.156 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.945 11.487 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.773 11.822 -1.256 1.00 0.00 H new ATOM 842 N TRP A 60 7.127 9.044 -0.031 1.00 0.00 N ATOM 843 CA TRP A 60 8.355 8.827 0.726 1.00 0.00 C ATOM 844 C TRP A 60 9.468 9.746 0.234 1.00 0.00 C ATOM 845 O TRP A 60 10.160 10.380 1.030 1.00 0.00 O ATOM 846 CB TRP A 60 8.796 7.367 0.614 1.00 0.00 C ATOM 847 CG TRP A 60 10.195 7.130 1.098 1.00 0.00 C ATOM 848 CD1 TRP A 60 11.344 7.248 0.370 1.00 0.00 C ATOM 849 CD2 TRP A 60 10.590 6.733 2.415 1.00 0.00 C ATOM 850 NE1 TRP A 60 12.431 6.948 1.156 1.00 0.00 N ATOM 851 CE2 TRP A 60 11.995 6.630 2.415 1.00 0.00 C ATOM 852 CE3 TRP A 60 9.895 6.457 3.596 1.00 0.00 C ATOM 853 CZ2 TRP A 60 12.714 6.261 3.549 1.00 0.00 C ATOM 854 CZ3 TRP A 60 10.610 6.091 4.720 1.00 0.00 C ATOM 855 CH2 TRP A 60 12.008 5.996 4.691 1.00 0.00 C ATOM 0 H TRP A 60 6.844 8.254 -0.610 1.00 0.00 H new ATOM 0 HA TRP A 60 8.153 9.059 1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.110 6.743 1.187 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.721 7.051 -0.426 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.392 7.535 -0.670 1.00 0.00 H new ATOM 0 HE1 TRP A 60 13.404 6.960 0.851 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.818 6.529 3.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.791 6.187 3.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 10.082 5.874 5.637 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.538 5.708 5.587 1.00 0.00 H new ATOM 866 N VAL A 61 9.634 9.814 -1.083 1.00 0.00 N ATOM 867 CA VAL A 61 10.662 10.658 -1.681 1.00 0.00 C ATOM 868 C VAL A 61 10.519 12.105 -1.225 1.00 0.00 C ATOM 869 O VAL A 61 11.486 12.868 -1.228 1.00 0.00 O ATOM 870 CB VAL A 61 10.605 10.607 -3.219 1.00 0.00 C ATOM 871 CG1 VAL A 61 10.835 9.188 -3.716 1.00 0.00 C ATOM 872 CG2 VAL A 61 9.274 11.147 -3.720 1.00 0.00 C ATOM 0 H VAL A 61 9.070 9.295 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 61 11.624 10.269 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 61 11.400 11.238 -3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.791 9.172 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.815 8.842 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.064 8.532 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.250 11.104 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.461 10.544 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.155 12.181 -3.395 1.00 0.00 H new ATOM 882 N LYS A 62 9.306 12.479 -0.832 1.00 0.00 N ATOM 883 CA LYS A 62 9.035 13.835 -0.371 1.00 0.00 C ATOM 884 C LYS A 62 9.862 14.165 0.867 1.00 0.00 C ATOM 885 O LYS A 62 10.339 15.288 1.025 1.00 0.00 O ATOM 886 CB LYS A 62 7.545 14.003 -0.062 1.00 0.00 C ATOM 887 CG LYS A 62 6.646 13.784 -1.266 1.00 0.00 C ATOM 888 CD LYS A 62 5.380 14.620 -1.177 1.00 0.00 C ATOM 889 CE LYS A 62 4.815 14.926 -2.555 1.00 0.00 C ATOM 890 NZ LYS A 62 4.306 13.701 -3.230 1.00 0.00 N ATOM 0 H LYS A 62 8.494 11.861 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 62 9.315 14.525 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.264 13.301 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.375 15.005 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.188 14.039 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.382 12.729 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.633 14.089 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.595 15.553 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.007 15.652 -2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.588 15.385 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.071 13.922 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.037 12.962 -3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.454 13.363 -2.739 1.00 0.00 H new ATOM 904 N GLN A 63 10.028 13.178 1.742 1.00 0.00 N ATOM 905 CA GLN A 63 10.799 13.364 2.966 1.00 0.00 C ATOM 906 C GLN A 63 12.212 12.813 2.808 1.00 0.00 C ATOM 907 O GLN A 63 13.184 13.446 3.217 1.00 0.00 O ATOM 908 CB GLN A 63 10.100 12.680 4.142 1.00 0.00 C ATOM 909 CG GLN A 63 8.701 13.211 4.410 1.00 0.00 C ATOM 910 CD GLN A 63 8.153 12.762 5.751 1.00 0.00 C ATOM 911 OE1 GLN A 63 7.544 11.698 5.861 1.00 0.00 O ATOM 912 NE2 GLN A 63 8.369 13.573 6.780 1.00 0.00 N ATOM 0 H GLN A 63 9.639 12.242 1.626 1.00 0.00 H new ATOM 0 HA GLN A 63 10.866 14.434 3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.042 11.609 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.706 12.808 5.039 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.717 14.300 4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.031 12.876 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.879 14.446 6.643 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.025 13.323 7.707 1.00 0.00 H new ATOM 921 N ASN A 64 12.317 11.629 2.214 1.00 0.00 N ATOM 922 CA ASN A 64 13.612 10.992 2.003 1.00 0.00 C ATOM 923 C ASN A 64 13.749 10.499 0.566 1.00 0.00 C ATOM 924 O ASN A 64 13.128 9.511 0.176 1.00 0.00 O ATOM 925 CB ASN A 64 13.792 9.823 2.974 1.00 0.00 C ATOM 926 CG ASN A 64 13.915 10.281 4.415 1.00 0.00 C ATOM 927 OD1 ASN A 64 13.830 11.474 4.708 1.00 0.00 O ATOM 928 ND2 ASN A 64 14.117 9.332 5.322 1.00 0.00 N ATOM 0 H ASN A 64 11.521 11.091 1.870 1.00 0.00 H new ATOM 0 HA ASN A 64 14.388 11.734 2.189 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.944 9.145 2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.683 9.259 2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.208 9.579 6.307 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.181 8.356 5.033 1.00 0.00 H new ATOM 935 N ASN A 65 14.567 11.196 -0.217 1.00 0.00 N ATOM 936 CA ASN A 65 14.785 10.829 -1.612 1.00 0.00 C ATOM 937 C ASN A 65 15.791 9.687 -1.723 1.00 0.00 C ATOM 938 O ASN A 65 16.694 9.721 -2.558 1.00 0.00 O ATOM 939 CB ASN A 65 15.281 12.039 -2.406 1.00 0.00 C ATOM 940 CG ASN A 65 15.034 11.893 -3.896 1.00 0.00 C ATOM 941 OD1 ASN A 65 13.962 12.510 -4.380 1.00 0.00 O flip ATOM 942 ND2 ASN A 65 15.798 11.234 -4.601 1.00 0.00 N flip ATOM 0 H ASN A 65 15.089 12.017 0.090 1.00 0.00 H new ATOM 0 HA ASN A 65 13.835 10.494 -2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.781 12.938 -2.044 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.348 12.174 -2.229 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.610 10.777 -4.185 1.00 0.00 H new ATOM 0 HD22 ASN A 65 15.620 11.145 -5.601 1.00 0.00 H new ATOM 949 N ARG A 66 15.626 8.677 -0.875 1.00 0.00 N ATOM 950 CA ARG A 66 16.519 7.524 -0.878 1.00 0.00 C ATOM 951 C ARG A 66 15.764 6.250 -0.510 1.00 0.00 C ATOM 952 O ARG A 66 14.942 6.246 0.408 1.00 0.00 O ATOM 953 CB ARG A 66 17.674 7.745 0.100 1.00 0.00 C ATOM 954 CG ARG A 66 18.559 8.927 -0.260 1.00 0.00 C ATOM 955 CD ARG A 66 19.537 9.253 0.858 1.00 0.00 C ATOM 956 NE ARG A 66 19.883 10.671 0.888 1.00 0.00 N ATOM 957 CZ ARG A 66 19.154 11.593 1.507 1.00 0.00 C ATOM 958 NH1 ARG A 66 18.044 11.246 2.145 1.00 0.00 N ATOM 959 NH2 ARG A 66 19.534 12.864 1.489 1.00 0.00 N ATOM 0 H ARG A 66 14.883 8.634 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 66 16.920 7.410 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.268 7.897 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.285 6.843 0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.110 8.705 -1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.938 9.798 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 66 19.102 8.966 1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.444 8.662 0.730 1.00 0.00 H new ATOM 0 HE ARG A 66 20.731 10.970 0.407 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.749 10.270 2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.486 11.955 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.387 13.134 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.973 13.571 1.965 1.00 0.00 H new ATOM 973 N CYS A 67 16.047 5.171 -1.232 1.00 0.00 N ATOM 974 CA CYS A 67 15.394 3.892 -0.983 1.00 0.00 C ATOM 975 C CYS A 67 15.459 3.527 0.498 1.00 0.00 C ATOM 976 O CYS A 67 16.531 3.453 1.098 1.00 0.00 O ATOM 977 CB CYS A 67 16.049 2.791 -1.820 1.00 0.00 C ATOM 978 SG CYS A 67 15.126 1.220 -1.835 1.00 0.00 S ATOM 0 H CYS A 67 16.724 5.157 -1.994 1.00 0.00 H new ATOM 0 HA CYS A 67 14.347 3.984 -1.271 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.159 3.145 -2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 67 17.053 2.607 -1.437 1.00 0.00 H new ATOM 0 HG CYS A 67 13.916 1.432 -2.259 1.00 0.00 H new ATOM 983 N PRO A 68 14.284 3.292 1.101 1.00 0.00 N ATOM 984 CA PRO A 68 14.180 2.931 2.518 1.00 0.00 C ATOM 985 C PRO A 68 14.716 1.531 2.799 1.00 0.00 C ATOM 986 O PRO A 68 14.602 1.025 3.917 1.00 0.00 O ATOM 987 CB PRO A 68 12.675 2.992 2.790 1.00 0.00 C ATOM 988 CG PRO A 68 12.040 2.755 1.463 1.00 0.00 C ATOM 989 CD PRO A 68 12.967 3.362 0.446 1.00 0.00 C ATOM 0 HA PRO A 68 14.768 3.594 3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.373 2.236 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.386 3.960 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.904 1.689 1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.053 3.215 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.954 2.806 -0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.689 4.389 0.211 1.00 0.00 H new ATOM 997 N LEU A 69 15.299 0.910 1.780 1.00 0.00 N ATOM 998 CA LEU A 69 15.854 -0.433 1.919 1.00 0.00 C ATOM 999 C LEU A 69 17.377 -0.401 1.859 1.00 0.00 C ATOM 1000 O LEU A 69 18.054 -1.044 2.662 1.00 0.00 O ATOM 1001 CB LEU A 69 15.307 -1.347 0.821 1.00 0.00 C ATOM 1002 CG LEU A 69 14.031 -2.116 1.162 1.00 0.00 C ATOM 1003 CD1 LEU A 69 12.887 -1.154 1.444 1.00 0.00 C ATOM 1004 CD2 LEU A 69 13.663 -3.067 0.032 1.00 0.00 C ATOM 0 H LEU A 69 15.400 1.314 0.849 1.00 0.00 H new ATOM 0 HA LEU A 69 15.556 -0.825 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.117 -0.743 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 69 16.081 -2.067 0.556 1.00 0.00 H new ATOM 0 HG LEU A 69 14.214 -2.705 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.987 -1.720 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.149 -0.514 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.704 -0.538 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.752 -3.606 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.499 -2.498 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.474 -3.779 -0.123 1.00 0.00 H new ATOM 1016 N CYS A 70 17.912 0.351 0.903 1.00 0.00 N ATOM 1017 CA CYS A 70 19.355 0.469 0.738 1.00 0.00 C ATOM 1018 C CYS A 70 19.779 1.933 0.682 1.00 0.00 C ATOM 1019 O CYS A 70 20.863 2.257 0.198 1.00 0.00 O ATOM 1020 CB CYS A 70 19.805 -0.253 -0.534 1.00 0.00 C ATOM 1021 SG CYS A 70 18.942 0.293 -2.043 1.00 0.00 S ATOM 0 H CYS A 70 17.366 0.889 0.230 1.00 0.00 H new ATOM 0 HA CYS A 70 19.833 0.004 1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 70 20.876 -0.101 -0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 70 19.648 -1.324 -0.406 1.00 0.00 H new ATOM 0 HG CYS A 70 17.698 0.548 -1.764 1.00 0.00 H new ATOM 1026 N GLN A 71 18.916 2.813 1.180 1.00 0.00 N ATOM 1027 CA GLN A 71 19.201 4.243 1.186 1.00 0.00 C ATOM 1028 C GLN A 71 20.081 4.628 0.001 1.00 0.00 C ATOM 1029 O GLN A 71 21.000 5.435 0.136 1.00 0.00 O ATOM 1030 CB GLN A 71 19.884 4.643 2.495 1.00 0.00 C ATOM 1031 CG GLN A 71 20.972 3.676 2.933 1.00 0.00 C ATOM 1032 CD GLN A 71 20.448 2.581 3.842 1.00 0.00 C ATOM 1033 OE1 GLN A 71 19.140 2.355 3.804 1.00 0.00 O flip ATOM 1034 NE2 GLN A 71 21.211 1.945 4.570 1.00 0.00 N flip ATOM 0 H GLN A 71 18.014 2.561 1.584 1.00 0.00 H new ATOM 0 HA GLN A 71 18.254 4.777 1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.317 5.637 2.380 1.00 0.00 H new ATOM 0 HB3 GLN A 71 19.132 4.712 3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.428 3.224 2.052 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.757 4.228 3.450 1.00 0.00 H new ATOM 0 HE21 GLN A 71 22.210 2.152 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.844 1.211 5.176 1.00 0.00 H new ATOM 1043 N GLN A 72 19.792 4.044 -1.158 1.00 0.00 N ATOM 1044 CA GLN A 72 20.559 4.326 -2.366 1.00 0.00 C ATOM 1045 C GLN A 72 19.796 5.273 -3.286 1.00 0.00 C ATOM 1046 O GLN A 72 18.565 5.281 -3.302 1.00 0.00 O ATOM 1047 CB GLN A 72 20.881 3.026 -3.105 1.00 0.00 C ATOM 1048 CG GLN A 72 22.058 2.266 -2.515 1.00 0.00 C ATOM 1049 CD GLN A 72 22.757 1.390 -3.536 1.00 0.00 C ATOM 1050 OE1 GLN A 72 22.231 0.356 -3.948 1.00 0.00 O ATOM 1051 NE2 GLN A 72 23.950 1.800 -3.950 1.00 0.00 N ATOM 0 H GLN A 72 19.034 3.374 -1.286 1.00 0.00 H new ATOM 0 HA GLN A 72 21.491 4.808 -2.071 1.00 0.00 H new ATOM 0 HB2 GLN A 72 20.001 2.383 -3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.094 3.255 -4.149 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.773 2.976 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 72 21.709 1.647 -1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.348 2.664 -3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 72 24.468 1.251 -4.636 1.00 0.00 H new ATOM 1060 N ASP A 73 20.534 6.070 -4.050 1.00 0.00 N ATOM 1061 CA ASP A 73 19.927 7.021 -4.974 1.00 0.00 C ATOM 1062 C ASP A 73 18.721 6.403 -5.675 1.00 0.00 C ATOM 1063 O ASP A 73 18.866 5.677 -6.658 1.00 0.00 O ATOM 1064 CB ASP A 73 20.953 7.483 -6.011 1.00 0.00 C ATOM 1065 CG ASP A 73 21.837 8.600 -5.491 1.00 0.00 C ATOM 1066 OD1 ASP A 73 21.294 9.657 -5.110 1.00 0.00 O ATOM 1067 OD2 ASP A 73 23.072 8.416 -5.468 1.00 0.00 O ATOM 0 H ASP A 73 21.554 6.077 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 73 19.589 7.883 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.575 6.637 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 73 20.433 7.822 -6.907 1.00 0.00 H new ATOM 1072 N TRP A 74 17.532 6.696 -5.162 1.00 0.00 N ATOM 1073 CA TRP A 74 16.300 6.169 -5.737 1.00 0.00 C ATOM 1074 C TRP A 74 16.161 6.583 -7.198 1.00 0.00 C ATOM 1075 O TRP A 74 16.112 7.772 -7.515 1.00 0.00 O ATOM 1076 CB TRP A 74 15.090 6.656 -4.939 1.00 0.00 C ATOM 1077 CG TRP A 74 13.781 6.187 -5.498 1.00 0.00 C ATOM 1078 CD1 TRP A 74 12.759 6.968 -5.959 1.00 0.00 C ATOM 1079 CD2 TRP A 74 13.353 4.830 -5.654 1.00 0.00 C ATOM 1080 NE1 TRP A 74 11.722 6.177 -6.392 1.00 0.00 N ATOM 1081 CE2 TRP A 74 12.061 4.862 -6.216 1.00 0.00 C ATOM 1082 CE3 TRP A 74 13.935 3.590 -5.376 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 11.345 3.703 -6.502 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 13.223 2.441 -5.660 1.00 0.00 C ATOM 1085 CH2 TRP A 74 11.939 2.503 -6.219 1.00 0.00 C ATOM 0 H TRP A 74 17.395 7.296 -4.349 1.00 0.00 H new ATOM 0 HA TRP A 74 16.343 5.081 -5.689 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.181 6.312 -3.909 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.096 7.746 -4.913 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.765 8.048 -5.980 1.00 0.00 H new ATOM 0 HE1 TRP A 74 10.842 6.515 -6.782 1.00 0.00 H new ATOM 0 HE3 TRP A 74 14.924 3.531 -4.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.355 3.749 -6.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.663 1.478 -5.448 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.408 1.586 -6.430 1.00 0.00 H new ATOM 1096 N VAL A 75 16.097 5.595 -8.086 1.00 0.00 N ATOM 1097 CA VAL A 75 15.962 5.858 -9.513 1.00 0.00 C ATOM 1098 C VAL A 75 14.901 4.960 -10.139 1.00 0.00 C ATOM 1099 O VAL A 75 15.138 3.776 -10.380 1.00 0.00 O ATOM 1100 CB VAL A 75 17.298 5.648 -10.251 1.00 0.00 C ATOM 1101 CG1 VAL A 75 17.122 5.866 -11.746 1.00 0.00 C ATOM 1102 CG2 VAL A 75 18.367 6.573 -9.691 1.00 0.00 C ATOM 0 H VAL A 75 16.137 4.606 -7.841 1.00 0.00 H new ATOM 0 HA VAL A 75 15.659 6.900 -9.616 1.00 0.00 H new ATOM 0 HB VAL A 75 17.622 4.619 -10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 75 18.076 5.713 -12.251 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.389 5.158 -12.133 1.00 0.00 H new ATOM 0 HG13 VAL A 75 16.774 6.883 -11.927 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.304 6.411 -10.224 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.053 7.609 -9.816 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.511 6.363 -8.631 1.00 0.00 H new ATOM 1112 N VAL A 76 13.730 5.531 -10.402 1.00 0.00 N ATOM 1113 CA VAL A 76 12.632 4.783 -11.002 1.00 0.00 C ATOM 1114 C VAL A 76 13.102 4.003 -12.225 1.00 0.00 C ATOM 1115 O VAL A 76 13.399 4.586 -13.267 1.00 0.00 O ATOM 1116 CB VAL A 76 11.477 5.714 -11.414 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.395 4.933 -12.145 1.00 0.00 C ATOM 1118 CG2 VAL A 76 10.904 6.422 -10.195 1.00 0.00 C ATOM 0 H VAL A 76 13.517 6.510 -10.209 1.00 0.00 H new ATOM 0 HA VAL A 76 12.274 4.085 -10.245 1.00 0.00 H new ATOM 0 HB VAL A 76 11.868 6.470 -12.095 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.587 5.608 -12.428 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.817 4.477 -13.040 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.004 4.154 -11.491 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.089 7.076 -10.504 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.528 5.682 -9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.684 7.015 -9.719 1.00 0.00 H new ATOM 1128 N GLN A 77 13.166 2.682 -12.089 1.00 0.00 N ATOM 1129 CA GLN A 77 13.600 1.822 -13.184 1.00 0.00 C ATOM 1130 C GLN A 77 12.413 1.381 -14.034 1.00 0.00 C ATOM 1131 O GLN A 77 12.440 1.490 -15.260 1.00 0.00 O ATOM 1132 CB GLN A 77 14.334 0.597 -12.638 1.00 0.00 C ATOM 1133 CG GLN A 77 14.961 -0.269 -13.719 1.00 0.00 C ATOM 1134 CD GLN A 77 16.133 -1.083 -13.208 1.00 0.00 C ATOM 1135 OE1 GLN A 77 17.262 -0.928 -13.675 1.00 0.00 O ATOM 1136 NE2 GLN A 77 15.872 -1.957 -12.243 1.00 0.00 N ATOM 0 H GLN A 77 12.923 2.185 -11.232 1.00 0.00 H new ATOM 0 HA GLN A 77 14.281 2.394 -13.814 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.113 0.927 -11.951 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.635 -0.007 -12.060 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.205 -0.942 -14.124 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.295 0.366 -14.540 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.922 -2.053 -11.885 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.622 -2.532 -11.860 1.00 0.00 H new ATOM 1145 N ARG A 78 11.372 0.883 -13.374 1.00 0.00 N ATOM 1146 CA ARG A 78 10.175 0.424 -14.069 1.00 0.00 C ATOM 1147 C ARG A 78 8.918 0.791 -13.287 1.00 0.00 C ATOM 1148 O ARG A 78 8.981 1.085 -12.093 1.00 0.00 O ATOM 1149 CB ARG A 78 10.233 -1.089 -14.283 1.00 0.00 C ATOM 1150 CG ARG A 78 11.509 -1.561 -14.961 1.00 0.00 C ATOM 1151 CD ARG A 78 11.923 -2.939 -14.471 1.00 0.00 C ATOM 1152 NE ARG A 78 12.878 -3.576 -15.374 1.00 0.00 N ATOM 1153 CZ ARG A 78 12.525 -4.241 -16.468 1.00 0.00 C ATOM 1154 NH1 ARG A 78 11.244 -4.355 -16.794 1.00 0.00 N ATOM 1155 NH2 ARG A 78 13.452 -4.794 -17.240 1.00 0.00 N ATOM 0 H ARG A 78 11.333 0.787 -12.359 1.00 0.00 H new ATOM 0 HA ARG A 78 10.135 0.920 -15.039 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.139 -1.588 -13.318 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.377 -1.395 -14.885 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.361 -1.587 -16.041 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.311 -0.848 -14.767 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.364 -2.853 -13.478 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.039 -3.570 -14.374 1.00 0.00 H new ATOM 0 HE ARG A 78 13.871 -3.506 -15.152 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.528 -3.931 -16.204 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.975 -4.866 -17.635 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.438 -4.709 -16.994 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.178 -5.304 -18.080 1.00 0.00 H new ATOM 1169 N ILE A 79 7.777 0.773 -13.968 1.00 0.00 N ATOM 1170 CA ILE A 79 6.505 1.102 -13.337 1.00 0.00 C ATOM 1171 C ILE A 79 5.373 0.255 -13.907 1.00 0.00 C ATOM 1172 O ILE A 79 5.306 0.019 -15.112 1.00 0.00 O ATOM 1173 CB ILE A 79 6.157 2.592 -13.516 1.00 0.00 C ATOM 1174 CG1 ILE A 79 7.219 3.470 -12.850 1.00 0.00 C ATOM 1175 CG2 ILE A 79 4.780 2.887 -12.940 1.00 0.00 C ATOM 1176 CD1 ILE A 79 7.109 4.933 -13.216 1.00 0.00 C ATOM 0 H ILE A 79 7.708 0.534 -14.957 1.00 0.00 H new ATOM 0 HA ILE A 79 6.615 0.888 -12.274 1.00 0.00 H new ATOM 0 HB ILE A 79 6.140 2.821 -14.582 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.137 3.367 -11.768 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.208 3.107 -13.131 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.548 3.944 -13.074 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.033 2.283 -13.456 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.771 2.645 -11.877 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.893 5.495 -12.708 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.221 5.048 -14.294 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.134 5.312 -12.910 1.00 0.00 H new ATOM 1188 N GLY A 80 4.482 -0.199 -13.030 1.00 0.00 N ATOM 1189 CA GLY A 80 3.362 -1.014 -13.464 1.00 0.00 C ATOM 1190 C GLY A 80 3.248 -2.307 -12.682 1.00 0.00 C ATOM 1191 O GLY A 80 4.099 -2.614 -11.847 1.00 0.00 O ATOM 0 H GLY A 80 4.516 -0.017 -12.027 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.439 -0.445 -13.355 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.472 -1.243 -14.524 1.00 0.00 H new ATOM 1195 N LYS A 81 2.192 -3.067 -12.949 1.00 0.00 N ATOM 1196 CA LYS A 81 1.967 -4.335 -12.264 1.00 0.00 C ATOM 1197 C LYS A 81 3.025 -5.361 -12.658 1.00 0.00 C ATOM 1198 O LYS A 81 3.097 -6.420 -12.036 1.00 0.00 O ATOM 1199 CB LYS A 81 0.572 -4.874 -12.589 1.00 0.00 C ATOM 1200 CG LYS A 81 -0.499 -4.414 -11.617 1.00 0.00 C ATOM 1201 CD LYS A 81 -0.764 -2.922 -11.742 1.00 0.00 C ATOM 1202 CE LYS A 81 -1.882 -2.636 -12.732 1.00 0.00 C ATOM 1203 NZ LYS A 81 -1.359 -2.394 -14.105 1.00 0.00 N ATOM 0 H LYS A 81 1.477 -2.827 -13.636 1.00 0.00 H new ATOM 0 HA LYS A 81 2.040 -4.158 -11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.296 -4.560 -13.596 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.604 -5.964 -12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.421 -4.965 -11.803 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.190 -4.645 -10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.028 -2.515 -10.766 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.146 -2.415 -12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.575 -3.477 -12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.447 -1.765 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.059 -1.854 -14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.472 -1.854 -14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.181 -3.305 -14.574 1.00 0.00 H new